[1-[(1,1-dioxothian-4-yl)amino]-3-methylcyclohexyl]methanol

C13H25NO3S — CID 62552486

IUPAC[1-[(1,1-dioxothian-4-yl)amino]-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NC2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C13H25NO3S/c1-11-3-2-6-13(9-11,10-15)14-12-4-7-18(16,17)8-5-12/h11-12,14-15H,2-10H2,1H3
InChIKeyWRPWYQKQYNRGNS-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.09
Rot. Bonds3

About [1-[(1,1-dioxothian-4-yl)amino]-3-methylcyclohexyl]methanol

[1-[(1,1-dioxothian-4-yl)amino]-3-methylcyclohexyl]methanol (PubChem CID 62552486) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is [1-[(1,1-dioxothian-4-yl)amino]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(1,1-dioxothian-4-yl)amino]-3-methylcyclohexyl]methanol
PubChem CID62552486
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name[1-[(1,1-dioxothian-4-yl)amino]-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NC2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C13H25NO3S/c1-11-3-2-6-13(9-11,10-15)14-12-4-7-18(16,17)8-5-12/h11-12,14-15H,2-10H2,1H3
InChIKeyWRPWYQKQYNRGNS-UHFFFAOYSA-N
XLogP1.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[(1,1-dioxothian-4-yl)amino]-3-methylcyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(1,1-dioxothian-4-yl)amino]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[(1,1-dioxothian-4-yl)amino]-3-methylcyclohexyl]methanol (CID 62552486) is [1-[(1,1-dioxothian-4-yl)amino]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(1,1-dioxothian-4-yl)amino]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(1,1-dioxothian-4-yl)amino]-3-methylcyclohexyl]methanol is CC1CCCC(CO)(NC2CCS(=O)(=O)CC2)C1.
What is the InChIKey of [1-[(1,1-dioxothian-4-yl)amino]-3-methylcyclohexyl]methanol?
The InChIKey is WRPWYQKQYNRGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-11-3-2-6-13(9-11,10-15)14-12-4-7-18(16,17)8-5-12/h11-12,14-15H,2-10H2,1H3.
What are the key properties of [1-[(1,1-dioxothian-4-yl)amino]-3-methylcyclohexyl]methanol?
[1-[(1,1-dioxothian-4-yl)amino]-3-methylcyclohexyl]methanol has a molecular weight of 275.41 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1,1-dioxothian-4-yl)amino]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 62552486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).